2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

C11H11BrFN3O2S — CID 71912807

IUPAC2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H11BrFN3O2S/c1-16-9(4-5-14-16)7-15-19(17,18)11-6-8(13)2-3-10(11)12/h2-6,15H,7H2,1H3
InChIKeyRNWVUMGKWRXJIF-UHFFFAOYSA-N
MW348.20 g/mol
LogP1.80
Rot. Bonds4

About 2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 71912807) has the molecular formula C11H11BrFN3O2S and a molecular weight of 348.20 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID71912807
Molecular FormulaC11H11BrFN3O2S
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC Name2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCn1nccc1CNS(=O)(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H11BrFN3O2S/c1-16-9(4-5-14-16)7-15-19(17,18)11-6-8(13)2-3-10(11)12/h2-6,15H,7H2,1H3
InChIKeyRNWVUMGKWRXJIF-UHFFFAOYSA-N
XLogP1.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1,3-Dimethylpyrazol-4-yl)sulfonyl](2-bromophenyl)amine
CID 6467434
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
4-bromo-N-[(4-chloro-1-ethyl-1H-pyrazol-5-yl)methyl]-N-methylbenzenesulfonamide
CID 29089764
3-bromo-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3756590
4-bromo-N-(trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3716725
4-Bromo-3,6-difluoro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)-benzenesulfonamide
CID 58561079
N-(4-bromophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 3682492
N-[(4-bromo-1-ethyl-1H-pyrazol-5-yl)methyl]-N,4-dimethylbenzenesulfonamide
CID 44822163
3-bromo-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 71982239
2-bromo-5-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 75437322
N-(3-fluorophenyl)-1,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 5295517
(1,5-Dimethylpyrazol-4-yl)[(4-bromophenyl)sulfonyl]amine
CID 17376813

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 71912807) is 2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cn1nccc1CNS(=O)(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is RNWVUMGKWRXJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2S/c1-16-9(4-5-14-16)7-15-19(17,18)11-6-8(13)2-3-10(11)12/h2-6,15H,7H2,1H3.
What are the key properties of 2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 348.20 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 71912807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).